espressopp.interaction.LJcos¶

if \(r^2 \leq border_{pot}\), then:

\[U = 4(\frac{1}{r^{12}} - \frac{1}{r^6}) + 1 - \phi\]

else:

\[U = \frac{1}{2}\phi (cos(\alpha r^2+\beta) - 1)\]

espressopp.interaction.LJcos(phi)¶

Parameters:	phi (real) – (default: 1.0)

espressopp.interaction.VerletListLJcos(vl)¶

Parameters:	vl –

espressopp.interaction.VerletListLJcos.getPotential(type1, type2)¶

Parameters:	type1 – type2 –
Return type:

espressopp.interaction.VerletListLJcos.getVerletList()¶

Return type:	A Python list of lists.

espressopp.interaction.VerletListLJcos.setPotential(type1, type2, potential)¶

Parameters:	type1 – type2 – potential –

espressopp.interaction.VerletListAdressLJcos(vl, fixedtupleList)¶

Parameters:	vl – fixedtupleList –

espressopp.interaction.VerletListAdressLJcos.setPotentialAT(type1, type2, potential)¶

Parameters:	type1 – type2 – potential –

espressopp.interaction.VerletListAdressLJcos.setPotentialCG(type1, type2, potential)¶

Parameters:	type1 – type2 – potential –

espressopp.interaction.VerletListHadressLJcos(vl, fixedtupleList)¶

Parameters:	vl – fixedtupleList –

espressopp.interaction.VerletListHadressLJcos.setPotentialAT(type1, type2, potential)¶

Parameters:	type1 – type2 – potential –

espressopp.interaction.VerletListHadressLJcos.setPotentialCG(type1, type2, potential)¶

Parameters:	type1 – type2 – potential –

espressopp.interaction.CellListLJcos(stor)¶

Parameters:	stor –

espressopp.interaction.CellListLJcos.setPotential(type1, type2, potential)¶

Parameters:	type1 – type2 – potential –

espressopp.interaction.FixedPairListLJcos(system, vl, potential)¶

Parameters:	system – vl – potential –

espressopp.interaction.FixedPairListLJcos.getFixedPairList()¶

Return type:	A Python list of lists.

espressopp.interaction.FixedPairListLJcos.setFixedPairList(fixedpairlist)¶

Parameters:	fixedpairlist –

espressopp.interaction.FixedPairListLJcos.setPotential(potential)¶

Parameters:	potential –